2-[5-ethyl-6-methyl-4-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[2,3-d]pyrimidin-2-yl]sulfanylethanamide

Systemtic Name: 2-[5-ethyl-6-methyl-4-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethanoylamino]thieno[2,3-d]pyrimidin-2-yl]sulfanylethanamide Openeye Name: 2-[3-[(2-benzylsulfanylacetyl)amino]-5-ethyl-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide CAS Name: 2-[[5-ethyl-6-methyl-4-oxo-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[3-[(2-benzylsulfanylacetyl)amino]-5-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[[2-(benzylthio)acetyl]amino]-5-ethyl-4-keto-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N)NC(=O)CSCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N)NC(=O)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4O3S3/c1-3-14-12(2)30-18-17(14)19(27)24(20(22-18)29-10-15(21)25)23-16(26)11-28-9-13-7-5-4-6-8-13/h4-8H,3,9-11H2,1-2H3,(H2,21,25)(H,23,26)